CHEBI:167044 - terreazepine

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ChEBI Name terreazepine ChEBI ID CHEBI:167044 Definition A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus. Stars This entity has been manually annotated by the ChEBI Team. Submitter Martin Larralde Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H15N3O3 Net Charge 0 Average Mass 309.325 Monoisotopic Mass 309.11134 InChI InChI=1S/C17H15N3O3/c18-12-7-3-1-5-10(12)16(22)20-14-9-15(21)11-6-2-4-8-13(11)19-17(14)23/h1-8,14H,9,18H2,(H,19,23)(H,20,22) InChIKey TVPLZAQWRYWFFT-UHFFFAOYSA-N SMILES NC1=C(C=CC=C1)C(=O)NC1CC(=O)C2=CC=CC=C2NC1=O Metabolite of Species Details Aspergillus terreus ATCC 20542 (NCBI:txid285217) See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing terreazepine (CHEBI:167044) has functional parent anthranilic acid (CHEBI:30754) terreazepine (CHEBI:167044) has role Aspergillus metabolite (CHEBI:76956) terreazepine (CHEBI:167044) is a anilines (CHEBI:22562) terreazepine (CHEBI:167044) is a benzamides (CHEBI:22702) terreazepine (CHEBI:167044) is a benzazepine (CHEBI:35676) terreazepine (CHEBI:167044) is a secondary carboxamide (CHEBI:140325) IUPAC Name 2-amino-N-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)benzamide Synonym Source 2-amino-N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)benzamide ChEBI Citation Type Source 32843555 PubMed citation SUBMITTER Last Modified 27 April 2021